ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(2-methylphenyl)-4-pyrimidinyl}-1-piperazinecarboxylate | C28H39N9O2

2-Methyl-2-propanyl 4-{6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(2-methylphenyl)-4-pyrimidinyl}-1-piperazinecarboxylate

  • Molecular FormulaC28H39N9O2
  • Average mass533.668 Da
  • Monoisotopic mass533.322693 Da
  • ChemSpider ID121853336

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperazinecarboxylic acid, 4-[6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(2-methylphenyl)-4-pyrimidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(2-methylphenyl)-4-pyrimidinyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(2-methylphenyl)-4-pyrimidinyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{6-[4-(4,5-Diméthyl-4H-1,2,4-triazol-3-yl)-1-pipérazinyl]-2-(2-méthylphényl)-4-pyrimidinyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 678.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.2±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 152.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.67
Polar Surface Area: 96 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 416.8±7.0 cm3

Click to predict properties on the Chemicalize site


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